2-[(2-methylanilino)methyl]phenol;hydrochloride

C14H16ClNO — CID 6602835

IUPAC2-[(2-methylanilino)methyl]phenol;hydrochloride
SMILESCc1ccccc1NCc1ccccc1O.Cl
InChIInChI=1S/C14H15NO.ClH/c1-11-6-2-4-8-13(11)15-10-12-7-3-5-9-14(12)16;/h2-9,15-16H,10H2,1H3;1H
InChIKeyOGKAPFPJRYURFT-UHFFFAOYSA-N
MW249.74 g/mol
LogP3.73
Rot. Bonds3

About 2-[(2-methylanilino)methyl]phenol;hydrochloride

2-[(2-methylanilino)methyl]phenol;hydrochloride (PubChem CID 6602835) has the molecular formula C14H16ClNO and a molecular weight of 249.74 g/mol. Its IUPAC name is 2-[(2-methylanilino)methyl]phenol;hydrochloride.

Molecular Properties

Compound Name2-[(2-methylanilino)methyl]phenol;hydrochloride
PubChem CID6602835
Molecular FormulaC14H16ClNO
Molecular Weight249.74 g/mol
Exact Mass249.09
IUPAC Name2-[(2-methylanilino)methyl]phenol;hydrochloride
SMILESCc1ccccc1NCc1ccccc1O.Cl
InChIInChI=1S/C14H15NO.ClH/c1-11-6-2-4-8-13(11)15-10-12-7-3-5-9-14(12)16;/h2-9,15-16H,10H2,1H3;1H
InChIKeyOGKAPFPJRYURFT-UHFFFAOYSA-N
XLogP3.73
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.74
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylanilino)methyl]phenol;hydrochloride?
The IUPAC name of 2-[(2-methylanilino)methyl]phenol;hydrochloride (CID 6602835) is 2-[(2-methylanilino)methyl]phenol;hydrochloride.
What is the SMILES notation for 2-[(2-methylanilino)methyl]phenol;hydrochloride?
The canonical SMILES for 2-[(2-methylanilino)methyl]phenol;hydrochloride is Cc1ccccc1NCc1ccccc1O.Cl.
What is the InChIKey of 2-[(2-methylanilino)methyl]phenol;hydrochloride?
The InChIKey is OGKAPFPJRYURFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO.ClH/c1-11-6-2-4-8-13(11)15-10-12-7-3-5-9-14(12)16;/h2-9,15-16H,10H2,1H3;1H.
What are the key properties of 2-[(2-methylanilino)methyl]phenol;hydrochloride?
2-[(2-methylanilino)methyl]phenol;hydrochloride has a molecular weight of 249.74 g/mol, XLogP of 3.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylanilino)methyl]phenol;hydrochloride is sourced from PubChem (CID 6602835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).